Comprehensive models for density prediction of ionic liquid + molecular solvent mixtures at different temperatures

Jouyban, Abolghasem; Mirheydari, Seyyedeh Narjes; Barzegar-Jalali, Mohammad; Shekaari, Hemayat; Acree, Jr. William E.

doi:10.1080/00319104.2019.1594222

Cited by 8 publications

(4 citation statements)

References 95 publications

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“…[205,206] as well as in mixtures with other fluids (phase equilibria, thermodynamic and transport properties of IL-based mixtures, etc.) [207][208][209][210][211][212] through using group contribution models [213][214][215][216][217][218][219][220][221][222][223][224], QSPR [225], empirical or semi-empirical equations [226][227][228], ab-initio [229,230], molecular dynamic simulations [231][232][233], as well as equations of state [234][235][236].…”

Section: Discussionmentioning

confidence: 99%

Industrial Applications of Ionic Liquids

2020

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Since their conception, ionic liquids (ILs) have been investigated for an extensive range of applications including in solvent chemistry, catalysis, and electrochemistry. This is due to their designation as designer solvents, whereby the physiochemical properties of an IL can be tuned for specific applications. This has led to significant research activity both by academia and industry from the 1990s, accelerating research in many fields and leading to the filing of numerous patents. However, while ILs have received great interest in the patent literature, only a limited number of processes are known to have been commercialised. This review aims to provide a perspective on the successful commercialisation of IL-based processes, to date, and the advantages and disadvantages associated with the use of ILs in industry.

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Section: Discussionmentioning

confidence: 99%

Industrial Applications of Ionic Liquids

2020

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“…This study measures the density, surface tension, and refractive index of [C n OC 2 mim][Ala]( n = 1, 2). Density correlates with packing efficiency and intermolecular interactions and is a critical design property in chemical engineering [ 18 ]. Its study provides insight into the microstructure and macroscopic properties of ILs [ 19 ].…”

Section: Introductionmentioning

confidence: 99%

A New Compartmentalized Scale (PN) for Measuring Polarity Applied to Novel Ether-Functionalized Amino Acid Ionic Liquids

Guo

et al. 2022

Molecules

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Functionalized and environmentally friendly ionic liquids are required in many fields, but convenient methods for measuring their polarity are lacking. Two novel ether-functionalized amino acid ionic liquids, 1-(2-methoxyethyl)-3-methylimidazolium alanine ([C1OC2mim][Ala]) and 1-(2-ethoxyethyl)-3-methylimidazolium alanine ([C2OC2mim][Ala]), were synthesized by a neutralization method and their structures confirmed by NMR spectroscopy. Density, surface tension, and refractive index were determined using the standard addition method. The strength of intermolecular interactions within these ionic liquids was examined in terms of standard entropy, lattice energy, and association enthalpy. A new polarity scale, PN, is now proposed, which divides polarity into two compartments: the surface and the body of the liquid. Surface tension is predicted via an improved Lorentz-Lorenz equation, and molar surface entropy is used to determine the polarity of the surface. This new PN scale is based on easily measured physicochemical parameters, is validated against alternative polarity scales, and is applicable to both ionic and molecular liquids.

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“…20 Moreover, the capabilities of Jouyban-Acree, Jouyban-Acree-van't, and Jouyban Acree-van't Hoff-Abraham were investigated for density estimation of various binary mixtures of the ILs. 24 The investigations on the literature review reveal the need for a basic simple equation between the physical properties of the IL and temperature and/or composition. Compared with complex prognostic models in realistic utilization, particularly in repetitive computations, a simple friendly-use correlation is more encouraging and convenient.…”

Section: Introductionmentioning

confidence: 99%

“…The temperature dependence of the Ils' viscosity and density were investigated by a quantitative structure‐properties relationship )QSPR) method, 21,22 simple linear equations based on fluidity relations, 23 Vogel‐Fulcher‐Tamman )VFT(, and logarithmic form of the Arrhenius equations 20 . Moreover, the capabilities of Jouyban‐Acree, Jouyban‐Acree‐van't, and Jouyban Acree‐van't Hoff‐Abraham were investigated for density estimation of various binary mixtures of the ILs 24 …”

Section: Introductionmentioning

confidence: 99%

On the prediction of thermo‐physicochemical properties and equilibrium absorption of CO ₂ into aqueous protic monoethanolamine glycinate ionic liquid

Hasanizadeh

Valeh-e-Sheyda

2021

Environ Prog Sustainable Energy

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The utilization of pure ionic liquids (ILs), as environmentally green and soft chemical solvents, is restricted in the CO2 capture industry due to their high viscosity and fair conductivity. In this paper, the novel comprehensive models were developed for accurate estimation of density, dynamic viscosity, surface tension, and electrical conductivity of a novel protic amino acid‐functionalized IL, namely monoethanolamine glycinate, [MEA][GLY], in the temperature range of 303.15–323.15 K at two different intervals of water content (5–20 wt%, and 25–100 wt%). The results of the suggested models revealed that the density, viscosity, and surface tension of [MEA][GLY] decline substantially with rising temperature, while the electrical conductivity presents an adverse trend. Additionally, the impact of varying the concentration on the density and viscosity of the IL solution is more significant than the solution temperature, particularly at high concentrations of the IL. Moreover, a second‐order polynomial equation was suggested to depict the equilibrium pressure dependence of CO2 loading capacity of aqueous [MEA][GLY] in IL, at various equilibrium pressures of 1–7 bar.

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Comprehensive models for density prediction of ionic liquid + molecular solvent mixtures at different temperatures

Cited by 8 publications

References 95 publications

Industrial Applications of Ionic Liquids

Industrial Applications of Ionic Liquids

A New Compartmentalized Scale (PN) for Measuring Polarity Applied to Novel Ether-Functionalized Amino Acid Ionic Liquids

On the prediction of thermo‐physicochemical properties and equilibrium absorption of CO ₂ into aqueous protic monoethanolamine glycinate ionic liquid

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Comprehensive models for density prediction of ionic liquid + molecular solvent mixtures at different temperatures

Cited by 8 publications

References 95 publications

Industrial Applications of Ionic Liquids

Industrial Applications of Ionic Liquids

A New Compartmentalized Scale (PN) for Measuring Polarity Applied to Novel Ether-Functionalized Amino Acid Ionic Liquids

On the prediction of thermo‐physicochemical properties and equilibrium absorption of CO 2 into aqueous protic monoethanolamine glycinate ionic liquid

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On the prediction of thermo‐physicochemical properties and equilibrium absorption of CO ₂ into aqueous protic monoethanolamine glycinate ionic liquid